General Information of the Compound
| Compound ID |
CP0556461
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| Compound Name |
US8993565, 49
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| Structure |
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| Formula |
C21H26N4O4
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| Molecular Weight |
398.463
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)Nc1cccc(OC2CCCC2)c1
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| InChI |
InChI=1S/C21H26N4O4/c26-20(22-15-4-3-7-17(12-15)29-16-5-1-2-6-16)13-18-23-19(14-21(27)24-18)25-8-10-28-11-9-25/h3-4,7,12,14,16H,1-2,5-6,8-11,13H2,(H,22,26)(H,23,24,27)
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| InChIKey |
SLSSSQOQLXPVKO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound